N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide

C12H26N2O2 — CID 14180821

IUPACN-(3-amino-2-hydroxy-5-methylhexyl)pentanamide
SMILESCCCCC(=O)NCC(O)C(N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-4-5-6-12(16)14-8-11(15)10(13)7-9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyXJWTVYQCFUMQNW-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds8

About N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide

N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide (PubChem CID 14180821) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-5-methylhexyl)pentanamide
PubChem CID14180821
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(3-amino-2-hydroxy-5-methylhexyl)pentanamide
SMILESCCCCC(=O)NCC(O)C(N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-4-5-6-12(16)14-8-11(15)10(13)7-9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyXJWTVYQCFUMQNW-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide?
The IUPAC name of N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide (CID 14180821) is N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide is CCCCC(=O)NCC(O)C(N)CC(C)C.
What is the InChIKey of N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide?
The InChIKey is XJWTVYQCFUMQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-5-6-12(16)14-8-11(15)10(13)7-9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide?
N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-5-methylhexyl)pentanamide is sourced from PubChem (CID 14180821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).